CID 14149607

113869-07-1

Structural Information

Molecular Formula
C20H22F3NO2
SMILES
CC1(CCN2CCC(C3=C4C(=CC1=C32)C(=CC(=O)O4)C(F)(F)F)(C)C)C
InChI
InChI=1S/C20H22F3NO2/c1-18(2)5-7-24-8-6-19(3,4)15-16(24)13(18)9-11-12(20(21,22)23)10-14(25)26-17(11)15/h9-10H,5-8H2,1-4H3
InChIKey
WXAVVANKJAFARU-UHFFFAOYSA-N
Compound name
10,10,16,16-tetramethyl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

365.16028 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16756 186.4
[M+Na]+ 388.14950 197.4
[M+NH4]+ 383.19410 195.2
[M+K]+ 404.12344 187.2
[M-H]- 364.15300 185.6
[M+Na-2H]- 386.13495 189.1
[M]+ 365.15973 188.1
[M]- 365.16083 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe